{"paper":{"title":"First-principles study of magnetism, lattice dynamics, and superconductivity in LaFeSiH$_x$","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.supr-con","authors_text":"Linda Hung, Taner Yildirim","submitted_at":"2017-11-06T07:56:33Z","abstract_excerpt":"The structural, electronic, magnetic, and vibrational properties of LaFeSiH$_x$ for $x$ between 0 and 1 are investigated using density functional calculations. We find that the electronic and magnetic properties are strongly controlled by the hydrogen concentration $x$ in LaFeSiH$_x$. While fully hydrogenated LaFeSiH has a striped antiferromagnetic ground state, the underdoped LaFeSiH$_x$ for $x\\leq0.75$ is not magnetic within the virtual crystal approximation or with explicit doping of supercells. The antiferromagnetic configuration breaks the symmetry of Fe $d$ orbitals and increases electro"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1711.01764","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}